General Information of the Compound
| Compound ID |
CP0706369
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| Compound Name |
(1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol Hydrochloride
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| Structure |
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| Formula |
C20H26ClFN2O
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| Molecular Weight |
364.892
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1ccccc1)N1CC(C)(C)c2cccc(F)c21.Cl
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| InChI |
InChI=1S/C20H25FN2O.ClH/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14;/h4-11,17-18,22,24H,12-13H2,1-3H3;1H/t17-,18+;/m1./s1
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| InChIKey |
YZJOPQCWTRXOHP-URBRKQAFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter